Protein Structure Similarity Clustering: Dynamic Treatment of PDB Structures Facilitates Clustering
β Scribed by Bradley D. Charette; Richard G. MacDonald; Stefan Wetzel; David B. Berkowitz; Herbert Waldmann
- Publisher
- John Wiley and Sons
- Year
- 2006
- Tongue
- English
- Weight
- 386 KB
- Volume
- 118
- Category
- Article
- ISSN
- 0044-8249
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π SIMILAR VOLUMES
Microcanonical molecular dynamics simulations are used to determine the structures of Ni N (N = 4, 5, 6) clusters and to study the dynamical and structural properties of the Ni 4 cluster. The interaction between the atoms is modeled by an empirical potential. The geometries and the related parameter
We present initial results from a theoretical study of the dissociation of Dz on the three most stable high symmetry isomers of Ni,,. The cluster's nearest neighbor distance (NND) was determined by energy minimization using the corrected effective medium theory. The critical D2/Ni13 multidimensional